2-(4-amino-2-methylpiperidin-1-yl)acetonitrile

C8H15N3 — CID 115313042

IUPAC2-(4-amino-2-methylpiperidin-1-yl)acetonitrile
SMILESCC1CC(N)CCN1CC#N
InChIInChI=1S/C8H15N3/c1-7-6-8(10)2-4-11(7)5-3-9/h7-8H,2,4-6,10H2,1H3
InChIKeyXJTOTWDPGLJICM-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.32
Rot. Bonds1

About 2-(4-amino-2-methylpiperidin-1-yl)acetonitrile

2-(4-amino-2-methylpiperidin-1-yl)acetonitrile (PubChem CID 115313042) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 2-(4-amino-2-methylpiperidin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-amino-2-methylpiperidin-1-yl)acetonitrile
PubChem CID115313042
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name2-(4-amino-2-methylpiperidin-1-yl)acetonitrile
SMILESCC1CC(N)CCN1CC#N
InChIInChI=1S/C8H15N3/c1-7-6-8(10)2-4-11(7)5-3-9/h7-8H,2,4-6,10H2,1H3
InChIKeyXJTOTWDPGLJICM-UHFFFAOYSA-N
XLogP0.32
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-(4-hydroxy-2-methylpiperidin-1-yl)acetonitrile
CID 126990859
2-[(2S)-2-methylpyrrolidin-1-yl]acetonitrile
CID 167444158
2-[(2S)-2,4-dimethylpiperazin-1-yl]acetonitrile
CID 142979155
1-(2-bromoprop-2-enyl)-2-methylpiperidin-4-amine
CID 115313002
2-(4-amino-2-methylpiperidin-1-yl)butanenitrile
CID 115313000
1-[2-(cyclopropylmethoxy)ethyl]-2-methylpiperidin-4-amine
CID 103821324
1-(3-chloro-2-methylprop-2-enyl)-2-methylpiperidin-4-amine
CID 106439515
2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-amine
CID 116616987
2-(4-amino-2-methylpiperidin-1-yl)-N-prop-2-ynylacetamide
CID 115313218
3-[(4-amino-2-methylpiperidin-1-yl)methyl]-4-methoxybenzonitrile
CID 115312973
1-[2-(3-methoxypropoxy)ethyl]-2-methylpiperidin-4-amine
CID 103181634
1-(4-amino-2-methylpiperidin-1-yl)-3-cyclopentylpropan-2-ol
CID 103160911

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-methylpiperidin-1-yl)acetonitrile?
The IUPAC name of 2-(4-amino-2-methylpiperidin-1-yl)acetonitrile (CID 115313042) is 2-(4-amino-2-methylpiperidin-1-yl)acetonitrile.
What is the SMILES notation for 2-(4-amino-2-methylpiperidin-1-yl)acetonitrile?
The canonical SMILES for 2-(4-amino-2-methylpiperidin-1-yl)acetonitrile is CC1CC(N)CCN1CC#N.
What is the InChIKey of 2-(4-amino-2-methylpiperidin-1-yl)acetonitrile?
The InChIKey is XJTOTWDPGLJICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-7-6-8(10)2-4-11(7)5-3-9/h7-8H,2,4-6,10H2,1H3.
What are the key properties of 2-(4-amino-2-methylpiperidin-1-yl)acetonitrile?
2-(4-amino-2-methylpiperidin-1-yl)acetonitrile has a molecular weight of 153.23 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-methylpiperidin-1-yl)acetonitrile is sourced from PubChem (CID 115313042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).